2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid

C18H31F3N2O3 — CID 67205424

IUPAC2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESNC(C(=O)NCCC1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H30N2O.C2HF3O2/c17-15(14-9-5-2-6-10-14)16(19)18-12-11-13-7-3-1-4-8-13;3-2(4,5)1(6)7/h13-15H,1-12,17H2,(H,18,19);(H,6,7)
InChIKeyWWHKEALEFVITGW-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.61
Rot. Bonds5

About 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid

2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 67205424) has the molecular formula C18H31F3N2O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID67205424
Molecular FormulaC18H31F3N2O3
Molecular Weight380.45 g/mol
Exact Mass380.23
IUPAC Name2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESNC(C(=O)NCCC1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H30N2O.C2HF3O2/c17-15(14-9-5-2-6-10-14)16(19)18-12-11-13-7-3-1-4-8-13;3-2(4,5)1(6)7/h13-15H,1-12,17H2,(H,18,19);(H,6,7)
InChIKeyWWHKEALEFVITGW-UHFFFAOYSA-N
XLogP3.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid (CID 67205424) is 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid is NC(C(=O)NCCC1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is WWHKEALEFVITGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.C2HF3O2/c17-15(14-9-5-2-6-10-14)16(19)18-12-11-13-7-3-1-4-8-13;3-2(4,5)1(6)7/h13-15H,1-12,17H2,(H,18,19);(H,6,7).
What are the key properties of 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid?
2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 380.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-N-(2-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67205424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).